In the paper by Kotani and Akai cond-mat/0302064, they calculated the varation of magnetic susceptibility with temperature. But in the program AKAIKKR, I cannot find any temperature-related parameters. Could anybody kindly give me a hint (or a procedure) on how to calculate the variation of magnetic susceptibility with temperature (as in the above paper) using the AKAIKKR program?

With Great Thanks!

zhangyg

229

Re:temperature consideration

Posted on : March 17, 2007 (Sat) 03:02:00

by takao kotani

Dear zhangyg,I made a special program for cond-mat/0302064.So it is not included in the package.It is years ago and it was really an experimental code, so not so easy to show it to you now.

"the variation of magnetic susceptibility" from first principleis not so easy. It depends on what you want;but I guessthat it might be better to use some model.

takao kotani

>Dear All:>>In the paper by Kotani and Akai cond-mat/0302064, they calculated the varation of magnetic susceptibility with temperature. But in the program AKAIKKR, I cannot find any temperature-related parameters. Could anybody kindly give me a hint (or a procedure) on how to calculate the variation of magnetic susceptibility with temperature (as in the above paper) using the AKAIKKR program?>>With Great Thanks!>>zhangyg

230

Re^2:temperature consideration

Posted on : March 17, 2007 (Sat) 05:58:56

by zhangyg

Dear Professor Kotani:

Thank you so much for your kind response and guidance. At present, I am trying to calculate the variation with temperature of the paramagnetic susceptibility of hcp transition metals up to about 2000 K, for example.